5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol

C14H22OS — CID 70641244

IUPAC5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCCC(C)(C)c1cc2c(s1)CC(C)(C)C2O
InChIInChI=1S/C14H22OS/c1-6-13(2,3)11-7-9-10(16-11)8-14(4,5)12(9)15/h7,12,15H,6,8H2,1-5H3
InChIKeyLZKDOPVUXAFVMU-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.05
Rot. Bonds2

About 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol

5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol (PubChem CID 70641244) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol
PubChem CID70641244
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCCC(C)(C)c1cc2c(s1)CC(C)(C)C2O
InChIInChI=1S/C14H22OS/c1-6-13(2,3)11-7-9-10(16-11)8-14(4,5)12(9)15/h7,12,15H,6,8H2,1-5H3
InChIKeyLZKDOPVUXAFVMU-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The IUPAC name of 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol (CID 70641244) is 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The canonical SMILES for 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol is CCC(C)(C)c1cc2c(s1)CC(C)(C)C2O.
What is the InChIKey of 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The InChIKey is LZKDOPVUXAFVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-6-13(2,3)11-7-9-10(16-11)8-14(4,5)12(9)15/h7,12,15H,6,8H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol?
5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol has a molecular weight of 238.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylbutan-2-yl)-4,6-dihydrocyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 70641244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).